Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL7413294

N.NC(=O)N1CCCCC1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
F2 P00734 1/20 0.50
HPGD P15428 4/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
CA2 P00918 1/20 0.42
CHKA P35790 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.40
DPP7 Q9UHL4 1/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28012315 0.97 ALDH1A1 (0.55) ALDH1A1F2HPGDMMP1MMP2
SCHEMBL4129583 0.97 ALDH1A1 (0.55) ALDH1A1F2HPGDMMP1MMP2
SCHEMBL2778162 0.97 ALDH1A1 (0.55) ALDH1A1F2HPGDMMP1MMP2
SCHEMBL1363949 0.97
SCHEMBL7749269 0.97 ALDH1A1 (0.55) ALDH1A1F2HPGDMMP1MMP2
SCHEMBL23963672 0.97 ALDH1A1 (0.55) ALDH1A1F2HPGDMMP1MMP2
SCHEMBL5457 0.97
SCHEMBL14511334 0.97 ALDH1A1 (0.55) ALDH1A1F2HPGDMMP1MMP2
SCHEMBL8364865 0.97 ALDH1A1 (0.55) ALDH1A1F2HPGDMMP1MMP2
SCHEMBL1086674 0.94 ALDH1A1 (0.52) ALDH1A1F2HPGDMMP1MMP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6117840-A INHIBITS BINDING BETWEEN VLA-4 RECEPTOR EXPRESSED ON INFLAMMATORY LEUKOCYTES AND FIBRONECTIN CS-1 PEPTIDE EXPRESSED ON ENDOTHELIAL CELLS THAT ARE INVOLVED IN IMMUNOINFLAMMATORY DISEASE STATES CYTEL CORPORATION (US) 2000-09-12 US disclosed
US-6103870-A INHIBITS BINDING BETWEEN VLA-4 RECEPTOR EXPRESSED ON INFLAMMATORY LEUKOCYTES AND FIBRONECTIN CS-1 PEPTIDE EXPRESSED ON ENDOTHELIAL CELLS; ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; TREATMENT OF ASTHMA CYTEL CORPORATION (US) 2000-08-15 US disclosed
WO-2000002903-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 2000-01-20 WO disclosed
US-5936065-A PRODRUG AS ANTIINFLAMMATORY AGENT FOR AUTOIMMUNE DISEASES; FOR SUPPRESSING BINDING OF INFLAMMATORY CELLS TO ENDOTHELIAL CELLS THAT EXPRESS THE CS-1 PORTION OF FIBRONECTIN ON THEIR SURFACES CYTEL CORPORATION (US) 1999-08-10 US disclosed
US-5821231-A TREATMENT OF IMMUNOINFLAMMATORY CONDITIONS CYTEL CORPORATION (US) 1998-10-13 US disclosed
US-5770573-A CS-1 peptidomimetics, compositions and methods of using the same CYTEL CORPORATION (US) 1998-06-23 US disclosed
US-5688913-A OLIGOPEPTIDES AS ANTIINFLAMMATORY AGENTS CYTEL CORPORATION (US) 1997-11-18 US disclosed